SCHEMBL4400511

SCHEMBL4400511

CCCN1CCN(CCCCNCCCCN2CCN(CCC)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC2A1 P11166 3/20 0.45
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
PAOX Q6QHF9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4393776 0.93 ACE2 (0.48) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL4395685 0.91 ALDH1A1 (0.52) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL22520848 0.87 DRD2 (0.39) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL4398090 0.86 ACE2 (0.46) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL25293833 0.85 GNAI3 (0.55) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL6656231 0.85 GNAI3 (0.56) GNAI3GNAO1GNAI1PAOXKDM4E
SCHEMBL13661340 0.85 GNAI3 (0.55) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL2443844 0.84 ALDH1A1 (0.56) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL13822725 0.84 ACE2 (0.48) ACE2ALDH1A1TSHRSLC2A1GNAI3
SCHEMBL4396749 0.84 ACE2 (0.48) ACE2ALDH1A1TSHRSLC2A1GNAI3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ACE2 2695/4885ALDH1A1 4231/4885TSHR 3610/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.